Abstract
The vertical electronic spectrum of ScH has been studied up to transition energies of 4·00 eV by using highly correlated MRD-CI wavefunctions. The potential curves for the triplet and singlet states related to the first two dissociation channels are investigated. The separation X 1∑+ -1 3Δ is found to be 0·33 ± 0·01 eV. Relative to 1 3Δ, the triplet states of the second dissociation channel are clustered in the 1·70 eV energy region. Several electronic states occupying the 4π (4p) MO are located from 2·0 to 3·0 eV above 1 3Δ. The first members of the Rydberg 5s series, i.e. 3, 1Δ(1δ7σ25s) and 3∑+ (6σ7σ25s) are found near 4·0 eV. The calculated 5s term values compare well with the experimental data of Sc atom. An experimental absorption band at 18 000 cm-1 can be related to the transitions X 1∑+ -2 1∑+ and X 1∑+ -2 1Π. Two emission regions (12 000 and 18 000 cm-1) are assigned to several possible combinations between higher-lying upper states and all triplet and singlet states from the first dissociation c...
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